N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine

C23H17FN4 — CID 164985419

IUPACN-(4-fluoro-2-methyl-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCC1=Cc2c(ccc(Nc3nc(-c4ccncc4)nc4ccccc34)c2F)C1
InChIInChI=1S/C23H17FN4/c1-14-12-16-6-7-20(21(24)18(16)13-14)27-23-17-4-2-3-5-19(17)26-22(28-23)15-8-10-25-11-9-15/h2-11,13H,12H2,1H3,(H,26,27,28)
InChIKeyGBZJLDBRSRKESI-UHFFFAOYSA-N
MW368.42 g/mol
LogP5.53
Rot. Bonds3

About N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine

N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 164985419) has the molecular formula C23H17FN4 and a molecular weight of 368.42 g/mol. Its IUPAC name is N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methyl-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID164985419
Molecular FormulaC23H17FN4
Molecular Weight368.42 g/mol
Exact Mass368.14
IUPAC NameN-(4-fluoro-2-methyl-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCC1=Cc2c(ccc(Nc3nc(-c4ccncc4)nc4ccccc34)c2F)C1
InChIInChI=1S/C23H17FN4/c1-14-12-16-6-7-20(21(24)18(16)13-14)27-23-17-4-2-3-5-19(17)26-22(28-23)15-8-10-25-11-9-15/h2-11,13H,12H2,1H3,(H,26,27,28)
InChIKeyGBZJLDBRSRKESI-UHFFFAOYSA-N
XLogP5.53
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.42
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine (CID 164985419) is N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine is CC1=Cc2c(ccc(Nc3nc(-c4ccncc4)nc4ccccc34)c2F)C1.
What is the InChIKey of N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is GBZJLDBRSRKESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4/c1-14-12-16-6-7-20(21(24)18(16)13-14)27-23-17-4-2-3-5-19(17)26-22(28-23)15-8-10-25-11-9-15/h2-11,13H,12H2,1H3,(H,26,27,28).
What are the key properties of N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine?
N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 368.42 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 164985419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).